![4-{[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzoic acid structure](/static/products/7257/725710-50-9.webp)
4-{[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzoic acid
TL;DR: 4-{[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzoic acid (CAS 725710-50-9) is a chemical compound with molecular formula C18H14N2O3S and molecular weight 338.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]benzoic acid
Also Known As: 4-{[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzoic acid, 4-[(E)-[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]benzoic acid, 4-[[1-(4-methylphenyl)-5-oxo-2-sulfanylidene-imidazolidin-4-ylidene]methyl]benzoic Acid, 4-{[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzoicacid, 4-{[(4Z)-1-(4-METHYLPHENYL)-5-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-4-YLIDENE]METHYL}BENZOIC ACID
| Molecular Formula | C18H14N2O3S |
|---|---|
| Molecular Weight | 338.07 g/mol |
| LogP | 2.95542 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.0725 |
| Heavy Atoms | 24 |
| Complexity | 854.8375 |
Chemical Identifiers
| CAS Number | 725710-50-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)C(=O)O)/NC2=S |
Product Overview
4-{[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzoic acid (CAS 725710-50-9), with molecular formula C18H14N2O3S and molecular weight 338.07 g/mol. IUPAC: 4-[(E)-[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]benzoic acid.
Chemical Property Profile of 4-{[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzoic acid
Property Insights of 4-{[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzoic acid
The XLogP value of 2.95542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzoic acid. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzoic acid. Following Lipinski's Rule of Five, 4-{[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzoic acid?
The CAS number of 4-{[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzoic acid is 725710-50-9.
What is the molecular formula of 4-{[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzoic acid?
The molecular formula of 4-{[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzoic acid is C18H14N2O3S.
What is the molecular weight of 4-{[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzoic acid?
The molecular weight of 4-{[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzoic acid is 338.07 g/mol.
Where can I buy 4-{[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzoic acid?
You can request a quote for 4-{[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.